SCHEMBL9837846

SCHEMBL9837846

COc1ccc(C(C)Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.56
CTSL P07711 2/20 0.56
ANO1 Q5XXA6 1/20 0.53
ANO2 Q9NQ90 1/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9835884 0.86 CTSV (0.67) CTSVCTSLANO1ANO2MAPT
SCHEMBL9837317 0.83 ANO1 (0.57) CTSVCTSLANO1ANO2MAPT
SCHEMBL4214475 0.82 CRHBP (0.70) CTSVCTSLANO1ANO2MAPT
SCHEMBL9834480 0.82 CRHBP (0.70) CTSVCTSLANO1ANO2MAPT
SCHEMBL4205393 0.82 CRHBP (0.70) CTSVCTSLANO1ANO2MAPT
SCHEMBL9838079 0.81 MAPT (0.58) CTSVCTSLMAPTLMNAKMT2A
SCHEMBL17434401 0.78 MAPT (0.70) CTSVCTSLMAPTSMN1; SMN2LMNA
SCHEMBL1671926 0.76 CTSV (0.60) CTSVCTSLANO1ANO2MAPT
SCHEMBL9837463 0.76 MPO (0.56) CTSVCTSLMAPTLMNAKMT2A
SCHEMBL3022957 0.75 MAPT (0.67) CTSVCTSLANO1ANO2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed